1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene

C18H21O2P — CID 170659353

IUPAC1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(P(=O)(CC)OCC)cc1
InChIInChI=1S/C18H21O2P/c1-4-20-21(19,5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-14H,3-5H2,1-2H3
InChIKeyRACWLCBPYOQKNT-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.71
Rot. Bonds6

About 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene

1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene (PubChem CID 170659353) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
PubChem CID170659353
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(P(=O)(CC)OCC)cc1
InChIInChI=1S/C18H21O2P/c1-4-20-21(19,5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-14H,3-5H2,1-2H3
InChIKeyRACWLCBPYOQKNT-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
ethoxyethane;1-phenylethenylbenzene
CID 69353422
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
1-dimethylphosphorylethenylbenzene
CID 89402997
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene (CID 170659353) is 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccc(P(=O)(CC)OCC)cc1.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene?
The InChIKey is RACWLCBPYOQKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c1-4-20-21(19,5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-14H,3-5H2,1-2H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene?
1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene has a molecular weight of 300.34 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene is sourced from PubChem (CID 170659353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).